Spectrum CCMSLIB00005722647 for NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based: Match]

Rating: (*)★(*)★(*)★(*)★(*)☆

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C24H34O7/c1-12(11-22(6)21-24(8,31-21)16(5)30-22)10-13(2)18(25)23(7,27)19-14(3)17(28-9)15(4)20(26)29-19/h10-11,16,18,21,25,27H,1-9H3/b12-11+,13-10+
C24H34O7
434.230453428
O=C1OC(=C(C(OC)=C1C)C)C(O)(C)C(O)C(=CC(=CC2(OC(C)C3(OC23)C)C)C)C
UXTZIHZDUIRZDY-JASOSIDASA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
434.23
1
MSV0000083472_NIH_NP_QE_Pos2_0i1min_r80_mergeMSMS.mgf
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid
positive
2.790888024244269
0.8288217504951086
417.227
[M-H2O+H]+
9.387148962028055 ppm
0.0039165719999800785 Da